(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol

C21H42O5Si — CID 100999903

IUPAC(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol
SMILESC/C=C/[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C21H42O5Si/c1-11-12-21(24-8)16(3)19(22)15(2)18(25-21)13-17(14-23-7)26-27(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11+/t15-,16+,17+,18+,19-,21-/m0/s1
InChIKeyVEVWXLKGEWSOFS-VFBCFTQVSA-N
MW402.65 g/mol
LogP4.36
Rot. Bonds8

About (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol

(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol (PubChem CID 100999903) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol
PubChem CID100999903
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Name(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol
SMILESC/C=C/[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C21H42O5Si/c1-11-12-21(24-8)16(3)19(22)15(2)18(25-21)13-17(14-23-7)26-27(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11+/t15-,16+,17+,18+,19-,21-/m0/s1
InChIKeyVEVWXLKGEWSOFS-VFBCFTQVSA-N
XLogP4.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol with MolForge

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Related Compounds

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CID 25052810
methyl (E,4S,5R)-5-[(5aR,7S,8S,9aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,5a,7,8,9,9a-hexahydro-4H-pyrano[3,2-d][1,3]dioxepin-7-yl]-4-hydroxyhex-2-enoate
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol (CID 100999903) is (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol is C/C=C/[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The InChIKey is VEVWXLKGEWSOFS-VFBCFTQVSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-11-12-21(24-8)16(3)19(22)15(2)18(25-21)13-17(14-23-7)26-27(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11+/t15-,16+,17+,18+,19-,21-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol?
(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol has a molecular weight of 402.65 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol is sourced from PubChem (CID 100999903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).